(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C17H19N3O4 — CID 95708650

IUPAC(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1
InChIInChI=1S/C17H19N3O4/c21-15(19-13-2-3-14-12(10-13)4-9-23-14)20-7-1-5-17(6-8-20)11-18-16(22)24-17/h2-4,9-10H,1,5-8,11H2,(H,18,22)(H,19,21)/t17-/m0/s1
InChIKeyOHFUKVYNEJWDRM-KRWDZBQOSA-N
MW329.36 g/mol
LogP2.93
Rot. Bonds1

About (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 95708650) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID95708650
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1
InChIInChI=1S/C17H19N3O4/c21-15(19-13-2-3-14-12(10-13)4-9-23-14)20-7-1-5-17(6-8-20)11-18-16(22)24-17/h2-4,9-10H,1,5-8,11H2,(H,18,22)(H,19,21)/t17-/m0/s1
InChIKeyOHFUKVYNEJWDRM-KRWDZBQOSA-N
XLogP2.93
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
2-oxo-N-[3-(tetrazol-1-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118790013
(5R)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 125446718
(5S)-2-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 97284872
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119066807
2-[(3R)-1-(1-benzofuran-5-ylcarbamoyl)pyrrolidin-3-yl]benzoic acid
CID 95713264
(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126444714
(5S)-9-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715470
9-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56901941
9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 162626144
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118760794
(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126427632

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 95708650) is (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is O=C1NC[C@@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1.
What is the InChIKey of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is OHFUKVYNEJWDRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-15(19-13-2-3-14-12(10-13)4-9-23-14)20-7-1-5-17(6-8-20)11-18-16(22)24-17/h2-4,9-10H,1,5-8,11H2,(H,18,22)(H,19,21)/t17-/m0/s1.
What are the key properties of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 95708650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).